(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide

C17H23BrFNO3 — CID 158814442

IUPAC(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide
SMILESCC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1F)C(=O)NCCO
InChIInChI=1S/C17H23BrFNO3/c1-3-11(2)15(17(23)20-6-7-21)10-14(22)8-12-4-5-13(18)9-16(12)19/h4-5,9,11,15,21H,3,6-8,10H2,1-2H3,(H,20,23)/t11-,15-/m0/s1
InChIKeyIVCABIPKEUEOFQ-NHYWBVRUSA-N
MW388.28 g/mol
LogP2.86
Rot. Bonds9

About (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide

(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide (PubChem CID 158814442) has the molecular formula C17H23BrFNO3 and a molecular weight of 388.28 g/mol. Its IUPAC name is (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide
PubChem CID158814442
Molecular FormulaC17H23BrFNO3
Molecular Weight388.28 g/mol
Exact Mass387.08
IUPAC Name(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide
SMILESCC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1F)C(=O)NCCO
InChIInChI=1S/C17H23BrFNO3/c1-3-11(2)15(17(23)20-6-7-21)10-14(22)8-12-4-5-13(18)9-16(12)19/h4-5,9,11,15,21H,3,6-8,10H2,1-2H3,(H,20,23)/t11-,15-/m0/s1
InChIKeyIVCABIPKEUEOFQ-NHYWBVRUSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R,5Z,8Z,11Z,14Z)-19-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563712
(3S)-3-(2-bromophenyl)-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 97826120
N-[3-(4-bromo-2-fluorophenyl)propyl]-2-methylbutanediamide
CID 121527015
4-acetyl-3-(4-bromophenyl)-5-hydroxy-2,3-dihydro-1H-pyridin-6-one
CID 17925787
(4R)-4-(4-bromophenyl)-2-methyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]hexan-3-one
CID 59670684
(2S)-2-(4-bromo-2-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one
CID 59670800
(2S)-2-(4-bromo-3-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one
CID 59670865
(3R)-3-(4-bromophenyl)-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-one
CID 66767850
2-Bromo-4-fluoro-N-(2-hydroxyethyl)benzeneacetamide
CID 66999893
3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide
CID 67060850
(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 70640459
(4R)-4-(4-bromophenyl)-6-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methylhexan-3-one
CID 135131765

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide?
The IUPAC name of (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide (CID 158814442) is (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide.
What is the SMILES notation for (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide?
The canonical SMILES for (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide is CC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1F)C(=O)NCCO.
What is the InChIKey of (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide?
The InChIKey is IVCABIPKEUEOFQ-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H23BrFNO3/c1-3-11(2)15(17(23)20-6-7-21)10-14(22)8-12-4-5-13(18)9-16(12)19/h4-5,9,11,15,21H,3,6-8,10H2,1-2H3,(H,20,23)/t11-,15-/m0/s1.
What are the key properties of (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide?
(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide has a molecular weight of 388.28 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide is sourced from PubChem (CID 158814442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).